N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C13H17F3N2O — CID 43677195

IUPACN-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)9-19-12-7-6-11(8-17-12)18-10-4-2-1-3-5-10/h6-8,10,18H,1-5,9H2
InChIKeyXEBCJJSWBTWPOK-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.77
Rot. Bonds4

About N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677195) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677195
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)9-19-12-7-6-11(8-17-12)18-10-4-2-1-3-5-10/h6-8,10,18H,1-5,9H2
InChIKeyXEBCJJSWBTWPOK-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677195) is N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is FC(F)(F)COc1ccc(NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is XEBCJJSWBTWPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)9-19-12-7-6-11(8-17-12)18-10-4-2-1-3-5-10/h6-8,10,18H,1-5,9H2.
What are the key properties of N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).